SCHEMBL1780310

SCHEMBL1780310

COC(=O)c1cc(Oc2ccc(OC(F)(F)F)cc2Cl)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TTR P02766 1/20 0.45
PPOX P50336 1/20 0.45
SCN9A Q15858 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
POLB P06746 2/20 0.40
APLNR P35414 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 4/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1679937 0.88 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL1679958 0.78 TDP1 (0.49) TDP1MEN1KMT2ATTRPPOX
SCHEMBL1679918 0.78 PDE7A (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL1679941 0.78 USP10 (0.44) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL7688039 0.77 MEN1 (0.45) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL13107195 0.77 MAPT (0.43) TDP1MEN1KMT2AALDH1A1NPSR1
SCHEMBL1679943 0.77 KMT2A (0.40) TDP1MEN1KMT2ATTRPPOX
SCHEMBL1679870 0.76 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11412090 0.76 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL39092 0.75 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367833-B2 Process for producing 6-aryloxyquinoline derivative and intermediate therefor NIPPON KAYAKU CO., LTD. (JP) 2013-02-05 US disclosed
US-20110118468-A1 PROCESS FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREFOR MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2011-05-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110118468-A1 PROCESS FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREFOR FAR1, CYP4F11, WEE2 TDP1 3673/4885MEN1 2109/4885KMT2A 902/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.